IUPAC name
[2-({[4-(butylsulfanyl)phenyl](phenyl)methyl}sulfanyl)ethyl]dimethylamine
SMILES
CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1
Compound class
Nervous System; Anxiolytics; Psycholeptics; Diphenylmethane Derivatives;
Therapeutic area
Captodiame is indicated for the treatment of anxiety.
Common name
Captodiame
IUPAC name
[2-({[4-(butylsulfanyl)phenyl](phenyl)methyl}sulfanyl)ethyl]dimethylamine
SMILES
CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1
INCHI
InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3
FORMULA
C21H29NS2
Common name
Captodiame
IUPAC name
[2-({[4-(butylsulfanyl)phenyl](phenyl)methyl}sulfanyl)ethyl]dimethylamine
Molecular weight
359.592
clogP
5.823
clogS
-6.297
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
53.84
Number of Rings
2
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00052 | methylsulfanylmethane |
|
S(C)C | 0.0072 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00099 | ethanethiol |
|
CCS | 0.0165 |
| FDBF00289 | N,N-dimethylethanamine |
|
C(C)N(C)C | 0.0299 |
| FDBF00395 | benzenethiol |
|
c1(ccccc1)S | 0.0031 |
| FDBF00409 | ethylsulfanylbenzene |
|
c1(ccccc1)SCC | 0.0014 |
| FDBF01018 | phenylmethanethiol |
|
SCc1ccccc1 | 0.0034 |
| FDBF03953 | 2-(dimethylamino)ethanethiol |
|
N(C)(C)CCS | 0.0010 |
20 ,
3
